2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H19N5O2S/c1-14-17(15(2)26(25-14)16-8-4-3-5-9-16)12-22-24-20(27)13-29-21-23-18-10-6-7-11-19(18)28-21/h3-12H,13H2,1-2H3,(H,24,27)/b22-12+